491 research outputs found

    Beam scanning by liquid-crystal biasing in a modified SIW structure

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    A fixed-frequency beam-scanning 1D antenna based on Liquid Crystals (LCs) is designed for application in 2D scanning with lateral alignment. The 2D array environment imposes full decoupling of adjacent 1D antennas, which often conflicts with the LC requirement of DC biasing: the proposed design accommodates both. The LC medium is placed inside a Substrate Integrated Waveguide (SIW) modified to work as a Groove Gap Waveguide, with radiating slots etched on the upper broad wall, that radiates as a Leaky-Wave Antenna (LWA). This allows effective application of the DC bias voltage needed for tuning the LCs. At the same time, the RF field remains laterally confined, enabling the possibility to lay several antennas in parallel and achieve 2D beam scanning. The design is validated by simulation employing the actual properties of a commercial LC medium

    The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry

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    The developments of the open-source OpenMolcas chemistry software environment since spring 2020 are described, with a focus on novel functionalities accessible in the stable branch of the package or via interfaces with other packages. These developments span a wide range of topics in computational chemistry and are presented in thematic sections: electronic structure theory, electronic spectroscopy simulations, analytic gradients and molecular structure optimizations, ab initio molecular dynamics, and other new features. This report offers an overview of the chemical phenomena and processes OpenMolcas can address, while showing that OpenMolcas is an attractive platform for state-of-the-art atomistic computer simulations

    Electron Thermal Runaway in Atmospheric Electrified Gases: a microscopic approach

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    Thesis elaborated from 2018 to 2023 at the Instituto de AstrofĂ­sica de AndalucĂ­a under the supervision of Alejandro Luque (Granada, Spain) and Nikolai Lehtinen (Bergen, Norway). This thesis presents a new database of atmospheric electron-molecule collision cross sections which was published separately under the DOI : With this new database and a new super-electron management algorithm which significantly enhances high-energy electron statistics at previously unresolved ratios, the thesis explores general facets of the electron thermal runaway process relevant to atmospheric discharges under various conditions of the temperature and gas composition as can be encountered in the wake and formation of discharge channels

    Thermo-Electro-Optical Properties of Disordered Nanowire Networks

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    Metallic nanowire networks are promising candidates for next-generation transparent conductors, owing to their exceptional electrical and thermal conductivity, high optical transparency, and mechanical flexibility. A nanowire network is a disordered arrangement of nanowires that exhibits no discernible long-range order or periodicity. Previous studies have placed significant emphasis on the individual analysis of electrical resistance, optical transmission, and thermal conduction in diverse network materials. Nonetheless, insufficient focus has been devoted to comprehending the relationship between the multiple extrinsic and intrinsic variables that characterize a disordered nanowire network (or an ensemble of them) and the trade-offs that arise when investigating the system response trio of namely electrical/ optical/thermal natures. This thesis presents a comprehensive computational study that exclusively employs theoretical and numerical models to examine the thermoelectric and optical characteristics of two types of disordered metallic nanowire networks: (i) junction-based random nanowire networks and (ii) seamless random nanowire networks. The raw materials that compose their nanowires are metals namely, silver, gold, copper, and aluminium and we used a variety of computational tools to obtain prominent physical quantities that infer the network’s performance such as sheet (electrical) resistance, optical transmission, and temperature variation. A range of adjustable parameters, including those pertaining to geometrical structure in device design, have been systematically tuned in order to conduct a figure of merit analysis with respect to thermal and electrical conduction, and optical transmission of the network materials. Moreover, we obtained local current and temperature mappings that detail the conduction mechanisms used by the networks to propagate signals through their disordered skeleton. We verified that, under certain conditions, junction-based and seamless nanowire networks fall into the same temperature distribution mechanisms that can be generally described with Weibull probability density functions. This study offers valuable insights into the electrical/optical/thermal performance of disordered nanowire networks prone to transparent conductor applications

    AI for time-resolved imaging: from fluorescence lifetime to single-pixel time of flight

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    Time-resolved imaging is a field of optics which measures the arrival time of light on the camera. This thesis looks at two time-resolved imaging modalities: fluorescence lifetime imaging and time-of-flight measurement for depth imaging and ranging. Both of these applications require temporal accuracy on the order of pico- or nanosecond (10−12 − 10−9s) scales. This demands special camera technology and optics that can sample light-intensity extremely quickly, much faster than an ordinary video camera. However, such detectors can be very expensive compared to regular cameras while offering lower image quality. Further, information of interest is often hidden (encoded) in the raw temporal data. Therefore, computational imaging algorithms are used to enhance, analyse and extract information from time-resolved images. "A picture is worth a thousand words". This describes a fundamental blessing and curse of image analysis: images contain extreme amounts of data. Consequently, it is very difficult to design algorithms that encompass all the possible pixel permutations and combinations that can encode this information. Fortunately, the rise of AI and machine learning (ML) allow us to instead create algorithms in a data-driven way. This thesis demonstrates the application of ML to time-resolved imaging tasks, ranging from parameter estimation in noisy data and decoding of overlapping information, through super-resolution, to inferring 3D information from 1D (temporal) data

    Roadmap on Label-Free Super-resolution Imaging

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    Label-free super-resolution (LFSR) imaging relies on light-scattering processes in nanoscale objects without a need for fluorescent (FL) staining required in super-resolved FL microscopy. The objectives of this Roadmap are to present a comprehensive vision of the developments, the state-of-the-art in this field, and to discuss the resolution boundaries and hurdles that need to be overcome to break the classical diffraction limit of the label-free imaging. The scope of this Roadmap spans from the advanced interference detection techniques, where the diffraction-limited lateral resolution is combined with unsurpassed axial and temporal resolution, to techniques with true lateral super-resolution capability that are based on understanding resolution as an information science problem, on using novel structured illumination, near-field scanning, and nonlinear optics approaches, and on designing superlenses based on nanoplasmonics, metamaterials, transformation optics, and microsphere-assisted approaches. To this end, this Roadmap brings under the same umbrella researchers from the physics and biomedical optics communities in which such studies have often been developing separately. The ultimate intent of this paper is to create a vision for the current and future developments of LFSR imaging based on its physical mechanisms and to create a great opening for the series of articles in this field.Peer reviewe

    Applications of Molecular Dynamics simulations for biomolecular systems and improvements to density-based clustering in the analysis

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    Molecular Dynamics simulations provide a powerful tool to study biomolecular systems with atomistic detail. The key to better understand the function and behaviour of these molecules can often be found in their structural variability. Simulations can help to expose this information that is otherwise experimentally hard or impossible to attain. This work covers two application examples for which a sampling and a characterisation of the conformational ensemble could reveal the structural basis to answer a topical research question. For the fungal toxin phalloidin—a small bicyclic peptide—observed product ratios in different cyclisation reactions could be rationalised by assessing the conformational pre-organisation of precursor fragments. For the C-type lectin receptor langerin, conformational changes induced by different side-chain protonations could deliver an explanation of the pH-dependency in the protein’s calcium-binding. The investigations were accompanied by the continued development of a density-based clustering protocol into a respective software package, which is generally well applicable for the use case of extracting conformational states from Molecular Dynamics data

    On the Road to 6G: Visions, Requirements, Key Technologies and Testbeds

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    Fifth generation (5G) mobile communication systems have entered the stage of commercial development, providing users with new services and improved user experiences as well as offering a host of novel opportunities to various industries. However, 5G still faces many challenges. To address these challenges, international industrial, academic, and standards organizations have commenced research on sixth generation (6G) wireless communication systems. A series of white papers and survey papers have been published, which aim to define 6G in terms of requirements, application scenarios, key technologies, etc. Although ITU-R has been working on the 6G vision and it is expected to reach a consensus on what 6G will be by mid-2023, the related global discussions are still wide open and the existing literature has identified numerous open issues. This paper first provides a comprehensive portrayal of the 6G vision, technical requirements, and application scenarios, covering the current common understanding of 6G. Then, a critical appraisal of the 6G network architecture and key technologies is presented. Furthermore, existing testbeds and advanced 6G verification platforms are detailed for the first time. In addition, future research directions and open challenges are identified for stimulating the on-going global debate. Finally, lessons learned to date concerning 6G networks are discussed
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